ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol

C9H17NO2 — CID 164602647

IUPACethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol
SMILESCC.COC1C=C(CO)C=CN1
InChIInChI=1S/C7H11NO2.C2H6/c1-10-7-4-6(5-9)2-3-8-7;1-2/h2-4,7-9H,5H2,1H3;1-2H3
InChIKeyDXDZDLDQKCIGHL-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.02
Rot. Bonds2

About ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol

ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol (PubChem CID 164602647) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol.

Molecular Properties

Compound Nameethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol
PubChem CID164602647
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol
SMILESCC.COC1C=C(CO)C=CN1
InChIInChI=1S/C7H11NO2.C2H6/c1-10-7-4-6(5-9)2-3-8-7;1-2/h2-4,7-9H,5H2,1H3;1-2H3
InChIKeyDXDZDLDQKCIGHL-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol?
The IUPAC name of ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol (CID 164602647) is ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol.
What is the SMILES notation for ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol?
The canonical SMILES for ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol is CC.COC1C=C(CO)C=CN1.
What is the InChIKey of ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol?
The InChIKey is DXDZDLDQKCIGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C2H6/c1-10-7-4-6(5-9)2-3-8-7;1-2/h2-4,7-9H,5H2,1H3;1-2H3.
What are the key properties of ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol?
ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol has a molecular weight of 171.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol is sourced from PubChem (CID 164602647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).